Basic information
- CAS
1592-82-1- Standard SMILES
COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C(C)C)c1- InChIKey
MPCILJQVDVSLSZ-UHFFFAOYSA-N- Molecular formula
- C11H16NO5PS
- Average molar mass
- 305.29 g/mol
- Monoisotopic mass
- 305.04868078
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl O-(3-isopropyl-4-nitrophenyl) ester
- IUPAC
- dimethoxy-(4-nitro-3-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane
- English name
- Phosphorothioic acid O,O-dimethyl O-(3-isopropyl-4-nitrophenyl) ester
- Molecular formula
- C11H16NO5PS
- Molecular weight
- 305.29
Names & synonyms
1592-82-1BRN 2295016Phosphorothioic acid, O,O-dimethyl O-(3-isopropyl-4-nitrophenyl) esterO,O-Dimethyl O-(3-isopropyl-4-nitrophenyl)phosphorothioateDTXSID00166610RefChem:371358DTXCID4089101Phosphorothioic acid O,O-dimethyl O-(3-isopropyl-4-nitrophenyl) estero,o-dimethyl o-[4-nitro-3-(propan-2-yl)phenyl] phosphorothioateCHEMBL436232dimethoxy-(4-nitro-3-propan-2-ylphenoxy)-sulfanylidene-lambda5-phosphaneThiophosphoric acid O,O-dimethyl O-(3-isopropyl-4-nitrophenyl) ester
Show more names
Phosphorothioic acid, O,O-dimethyl O-[3-(1-methylethyl)-4-nitrophenyl] ester
Database identifiers
- CAS
1592-82-1- PubChem CID
- 74130
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
LogP4.05
Physicochemical properties
- Boiling point
- 382.1 · 382.1±52.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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